Ben-Chao Zhu

9PUBLICATIONS
6CO-AUTHORS
Structure and dynamics of materialsMetal organic frameworksTheory and design of materialsTheoretical quantum chemistryStructural properties of condensed matter
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Publications (9)

|Jul 09, 2026
Multi-Force-Field Molecular Dynamics Reveals How Cation Hydration Kinetics Dictate Polypeptide Assembly Pathways and Timescales.

|May 20, 2025
Structural Evolution and Chemical Bonding in Rare-Earth Encapsulated Magnesium Clusters: A CALYPSO-Guided DFT Study of La2Mgn and Lu2Mgn (N = 1-20).

Ben-Chao Zhu, Yan-Hua Liao, Chun-Jing Liu

|Jan 06, 2025
Charge Arrangement Determines the Sensitivity of Aggregation Patterns between Peptide-Chains to the Surrounding Ionic Environment.

Lei Bao, Wen-Bin Kang, Ben-Chao Zhu

|Sep 19, 2024
Density functional theory-based study on the structural, electronic and spectral properties of gas-phase PbMg (n = 2-12) clusters.

Zai-Fu Jiang, Ding-Mei Zhang, Pan-Long Kong

|Nov 16, 2023
DFT-Based Study of the Structure, Stability, and Spectral and Optical Properties of Gas-Phase NbMg (n = 2-12) Clusters.

Xiao-Feng Gao, Guang-Hui Liu, Xian-Kai Hu

|Oct 10, 2023
Multi-scale molecular simulation of random peptide phase separation and its extended-to-compact structure transition driven by hydrophobic interactions.

Wen Bin Kang, Lei Bao, Kai Zhang

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Frequent Collaborators

3 joint publications

Lei Bao

2 joint publications

Wen-Bin Kang

2 joint publications

Yan-Hua Liao

1 joint publications

Qian-Yuan Tang